methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetate CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetate Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetic acid methyl ester Formula: C18H21ClNO5+ MolecularWeight: 366.81604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC3)CC(=O)OC

InChI

InChI=1S/C18H20ClNO5/c1-10-11-7-14(19)16(22)13(9-20-5-3-4-6-20)17(11)25-18(23)12(10)8-15(21)24-2/h7,22H,3-6,8-9H2,1-2H3/p+1